SCHEMBL24630985

SCHEMBL24630985

CC(C)(C)NC[C@H](O)c1ccc2c(c1)[nH]c1ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 2/20 0.47
ADRB1 P08588 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PMP22 Q01453 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22864178 0.76 ADRB2 (0.45) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL24630967 0.76 ADRB2 (0.52) ADRB2TSHRHIF1AADRB1CYP1A2
SCHEMBL22864179 0.74 MAPT (0.40) CYP1A2CYP2C9KMT2A
SCHEMBL24630956 0.74 ADRB2 (0.49) ADRB2TSHRHIF1AADRB1CYP1A2
SCHEMBL18280692 0.71 KIF11 (0.61) KMT2A
SCHEMBL22864047 0.71 ADRB2 (0.47) ADRB2HIF1AADRB1CYP2D6NFKB1
SCHEMBL4960988 0.69 CHEK1 (0.47) CYP1A2CYP2C9KMT2A
SCHEMBL1586081 0.69 MAPT (0.49) CYP2D6TDP1CYP3A4CASP7KMT2A
SCHEMBL2628369 0.69 KIF11 (0.58) KMT2A
SCHEMBL24630928 0.69 ADRB2 (0.49) ADRB2TSHRHIF1AADRB1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C ADRB2 1/4885TSHR 183/4885HIF1A 2371/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.